1-(4-ethyl-4-methylhepta-2,5-dienoxy)-4,4-dimethylpentan-2-ol

C17H32O2 — CID 123390348

IUPAC1-(4-ethyl-4-methylhepta-2,5-dienoxy)-4,4-dimethylpentan-2-ol
SMILESCC=CC(C)(C=CCOCC(O)CC(C)(C)C)CC
InChIInChI=1S/C17H32O2/c1-7-10-17(6,8-2)11-9-12-19-14-15(18)13-16(3,4)5/h7,9-11,15,18H,8,12-14H2,1-6H3
InChIKeyCENVZPVCZJVACA-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.35
Rot. Bonds8

About 1-(4-ethyl-4-methylhepta-2,5-dienoxy)-4,4-dimethylpentan-2-ol

1-(4-ethyl-4-methylhepta-2,5-dienoxy)-4,4-dimethylpentan-2-ol (PubChem CID 123390348) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(4-ethyl-4-methylhepta-2,5-dienoxy)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(4-ethyl-4-methylhepta-2,5-dienoxy)-4,4-dimethylpentan-2-ol
PubChem CID123390348
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name1-(4-ethyl-4-methylhepta-2,5-dienoxy)-4,4-dimethylpentan-2-ol
SMILESCC=CC(C)(C=CCOCC(O)CC(C)(C)C)CC
InChIInChI=1S/C17H32O2/c1-7-10-17(6,8-2)11-9-12-19-14-15(18)13-16(3,4)5/h7,9-11,15,18H,8,12-14H2,1-6H3
InChIKeyCENVZPVCZJVACA-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(4-ethyl-4-methylhepta-2,5-dienoxy)-4,4-dimethylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-4-methylhepta-2,5-dienoxy)-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(4-ethyl-4-methylhepta-2,5-dienoxy)-4,4-dimethylpentan-2-ol (CID 123390348) is 1-(4-ethyl-4-methylhepta-2,5-dienoxy)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(4-ethyl-4-methylhepta-2,5-dienoxy)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(4-ethyl-4-methylhepta-2,5-dienoxy)-4,4-dimethylpentan-2-ol is CC=CC(C)(C=CCOCC(O)CC(C)(C)C)CC.
What is the InChIKey of 1-(4-ethyl-4-methylhepta-2,5-dienoxy)-4,4-dimethylpentan-2-ol?
The InChIKey is CENVZPVCZJVACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-7-10-17(6,8-2)11-9-12-19-14-15(18)13-16(3,4)5/h7,9-11,15,18H,8,12-14H2,1-6H3.
What are the key properties of 1-(4-ethyl-4-methylhepta-2,5-dienoxy)-4,4-dimethylpentan-2-ol?
1-(4-ethyl-4-methylhepta-2,5-dienoxy)-4,4-dimethylpentan-2-ol has a molecular weight of 268.44 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-4-methylhepta-2,5-dienoxy)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 123390348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).